2-chloro-5-(4-iodo-2-methylimidazol-1-yl)pyridine

C9H7ClIN3 — CID 86012439

IUPAC2-chloro-5-(4-iodo-2-methylimidazol-1-yl)pyridine
SMILESCc1nc(I)cn1-c1ccc(Cl)nc1
InChIInChI=1S/C9H7ClIN3/c1-6-13-9(11)5-14(6)7-2-3-8(10)12-4-7/h2-5H,1H3
InChIKeyUBSJWIRWCJSODT-UHFFFAOYSA-N
MW319.53 g/mol
LogP2.83
Rot. Bonds1

About 2-chloro-5-(4-iodo-2-methylimidazol-1-yl)pyridine

2-chloro-5-(4-iodo-2-methylimidazol-1-yl)pyridine (PubChem CID 86012439) has the molecular formula C9H7ClIN3 and a molecular weight of 319.53 g/mol. Its IUPAC name is 2-chloro-5-(4-iodo-2-methylimidazol-1-yl)pyridine.

Molecular Properties

Compound Name2-chloro-5-(4-iodo-2-methylimidazol-1-yl)pyridine
PubChem CID86012439
Molecular FormulaC9H7ClIN3
Molecular Weight319.53 g/mol
Exact Mass318.94
IUPAC Name2-chloro-5-(4-iodo-2-methylimidazol-1-yl)pyridine
SMILESCc1nc(I)cn1-c1ccc(Cl)nc1
InChIInChI=1S/C9H7ClIN3/c1-6-13-9(11)5-14(6)7-2-3-8(10)12-4-7/h2-5H,1H3
InChIKeyUBSJWIRWCJSODT-UHFFFAOYSA-N
XLogP2.83
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.53
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(4-iodo-2-methylimidazol-1-yl)pyridine?
The IUPAC name of 2-chloro-5-(4-iodo-2-methylimidazol-1-yl)pyridine (CID 86012439) is 2-chloro-5-(4-iodo-2-methylimidazol-1-yl)pyridine.
What is the SMILES notation for 2-chloro-5-(4-iodo-2-methylimidazol-1-yl)pyridine?
The canonical SMILES for 2-chloro-5-(4-iodo-2-methylimidazol-1-yl)pyridine is Cc1nc(I)cn1-c1ccc(Cl)nc1.
What is the InChIKey of 2-chloro-5-(4-iodo-2-methylimidazol-1-yl)pyridine?
The InChIKey is UBSJWIRWCJSODT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClIN3/c1-6-13-9(11)5-14(6)7-2-3-8(10)12-4-7/h2-5H,1H3.
What are the key properties of 2-chloro-5-(4-iodo-2-methylimidazol-1-yl)pyridine?
2-chloro-5-(4-iodo-2-methylimidazol-1-yl)pyridine has a molecular weight of 319.53 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(4-iodo-2-methylimidazol-1-yl)pyridine is sourced from PubChem (CID 86012439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).